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MolNFT v1 · #178462 · protein

Structure of the human meckelin

7FH1: “Structure of the human meckelin”. Electron microscopy, 2 ligands (NAG, BMA), 20 pockets (best druggability 0.76). MolNFT v1 #178462 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7FH1
Type
protein
Length
1,748 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Meckelin
UniProt
Q5HYA8
Ligands
NAG, BMA
Pockets
20 · best druggability 0.76

Structure

electron microscopy · 1 distinct chain · 35% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMeckelinprotein87435% helix, 15% strandQ5HYA8

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 16 copies · chains A, B
  • BMA · beta-D-mannopyranose · sugar · 6 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14870.760.8464empty
24750.720.8159empty
35360.680.7866empty
45730.660.7658empty
54830.660.7866empty

Interfaces

1 interface between chains.

  • A–B · 5031 Ų buried · 42 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 disulfide (disulfide).

Compared structures

  • 7FH1 · Structure of the human Meckelin · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5HYA8 · AlphaFold monomer V2.0 prediction for meckelin (Q5HYA8) · a predicted model of the same protein · chain A against A, TM-score 0.84

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